1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone

C9H15F3N2O2 — CID 115006804

IUPAC1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESNCC(O)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)8(16)14-3-1-2-6(5-14)7(15)4-13/h6-7,15H,1-5,13H2
InChIKeyKLWQUVHPPRMYQP-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.11
Rot. Bonds2

About 1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 115006804) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID115006804
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESNCC(O)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)8(16)14-3-1-2-6(5-14)7(15)4-13/h6-7,15H,1-5,13H2
InChIKeyKLWQUVHPPRMYQP-UHFFFAOYSA-N
XLogP0.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 115006804) is 1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone is NCC(O)C1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is KLWQUVHPPRMYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)8(16)14-3-1-2-6(5-14)7(15)4-13/h6-7,15H,1-5,13H2.
What are the key properties of 1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 240.22 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-1-hydroxyethyl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 115006804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).